5-(2-aminopropoxy)-2-[(2-chloro-4-fluorophenyl)methyl]pyridazin-3-one

C14H15ClFN3O2 — CID 103222984

IUPAC5-(2-aminopropoxy)-2-[(2-chloro-4-fluorophenyl)methyl]pyridazin-3-one
SMILESCC(N)COc1cnn(Cc2ccc(F)cc2Cl)c(=O)c1
InChIInChI=1S/C14H15ClFN3O2/c1-9(17)8-21-12-5-14(20)19(18-6-12)7-10-2-3-11(16)4-13(10)15/h2-6,9H,7-8,17H2,1H3
InChIKeyQCRXSQCKYXAHKH-UHFFFAOYSA-N
MW311.74 g/mol
LogP1.81
Rot. Bonds5

About 5-(2-aminopropoxy)-2-[(2-chloro-4-fluorophenyl)methyl]pyridazin-3-one

5-(2-aminopropoxy)-2-[(2-chloro-4-fluorophenyl)methyl]pyridazin-3-one (PubChem CID 103222984) has the molecular formula C14H15ClFN3O2 and a molecular weight of 311.74 g/mol. Its IUPAC name is 5-(2-aminopropoxy)-2-[(2-chloro-4-fluorophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminopropoxy)-2-[(2-chloro-4-fluorophenyl)methyl]pyridazin-3-one
PubChem CID103222984
Molecular FormulaC14H15ClFN3O2
Molecular Weight311.74 g/mol
Exact Mass311.08
IUPAC Name5-(2-aminopropoxy)-2-[(2-chloro-4-fluorophenyl)methyl]pyridazin-3-one
SMILESCC(N)COc1cnn(Cc2ccc(F)cc2Cl)c(=O)c1
InChIInChI=1S/C14H15ClFN3O2/c1-9(17)8-21-12-5-14(20)19(18-6-12)7-10-2-3-11(16)4-13(10)15/h2-6,9H,7-8,17H2,1H3
InChIKeyQCRXSQCKYXAHKH-UHFFFAOYSA-N
XLogP1.81
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-aminopropoxy)-2-benzylpyridazin-3-one
CID 103223013
5-(2-aminopropoxy)-2-(pyridin-4-ylmethyl)pyridazin-3-one
CID 103222937
5-(2-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one
CID 103223081
5-(2-aminopropoxy)-2-[(3-bromo-5-fluorophenyl)methyl]pyridazin-3-one
CID 103222923
5-(2-aminopropoxy)-2-(thiophen-2-ylmethyl)pyridazin-3-one
CID 103223038
5-(2-aminopropoxy)-2-(2-hydroxypropyl)pyridazin-3-one
CID 103223050
2-[(2-chloro-4-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223620
5-(3-aminopropoxy)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one
CID 103223131
5-(3-aminopropoxy)-2-[(2-bromo-4-fluorophenyl)methyl]pyridazin-3-one
CID 103223296
2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 103222956
2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 103223025
5-(3-aminopropoxy)-2-[(3-chloro-4-pyridinyl)methyl]pyridazin-3-one
CID 103223127

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropoxy)-2-[(2-chloro-4-fluorophenyl)methyl]pyridazin-3-one?
The IUPAC name of 5-(2-aminopropoxy)-2-[(2-chloro-4-fluorophenyl)methyl]pyridazin-3-one (CID 103222984) is 5-(2-aminopropoxy)-2-[(2-chloro-4-fluorophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(2-aminopropoxy)-2-[(2-chloro-4-fluorophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(2-aminopropoxy)-2-[(2-chloro-4-fluorophenyl)methyl]pyridazin-3-one is CC(N)COc1cnn(Cc2ccc(F)cc2Cl)c(=O)c1.
What is the InChIKey of 5-(2-aminopropoxy)-2-[(2-chloro-4-fluorophenyl)methyl]pyridazin-3-one?
The InChIKey is QCRXSQCKYXAHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O2/c1-9(17)8-21-12-5-14(20)19(18-6-12)7-10-2-3-11(16)4-13(10)15/h2-6,9H,7-8,17H2,1H3.
What are the key properties of 5-(2-aminopropoxy)-2-[(2-chloro-4-fluorophenyl)methyl]pyridazin-3-one?
5-(2-aminopropoxy)-2-[(2-chloro-4-fluorophenyl)methyl]pyridazin-3-one has a molecular weight of 311.74 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropoxy)-2-[(2-chloro-4-fluorophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 103222984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).